4-[1-(5-chlorothiophen-2-yl)ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione

C15H19ClN2O2S — CID 64964900

IUPAC4-[1-(5-chlorothiophen-2-yl)ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC(c1ccc(Cl)s1)N1CC(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C15H19ClN2O2S/c1-10(11-5-6-12(16)21-11)18-9-13(19)17-15(14(18)20)7-3-2-4-8-15/h5-6,10H,2-4,7-9H2,1H3,(H,17,19)
InChIKeyQYPLZQIZUMWNKF-UHFFFAOYSA-N
MW326.85 g/mol
LogP3.12
Rot. Bonds2

About 4-[1-(5-chlorothiophen-2-yl)ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione

4-[1-(5-chlorothiophen-2-yl)ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 64964900) has the molecular formula C15H19ClN2O2S and a molecular weight of 326.85 g/mol. Its IUPAC name is 4-[1-(5-chlorothiophen-2-yl)ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name4-[1-(5-chlorothiophen-2-yl)ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID64964900
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC Name4-[1-(5-chlorothiophen-2-yl)ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC(c1ccc(Cl)s1)N1CC(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C15H19ClN2O2S/c1-10(11-5-6-12(16)21-11)18-9-13(19)17-15(14(18)20)7-3-2-4-8-15/h5-6,10H,2-4,7-9H2,1H3,(H,17,19)
InChIKeyQYPLZQIZUMWNKF-UHFFFAOYSA-N
XLogP3.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-chlorothiophen-2-yl)ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 4-[1-(5-chlorothiophen-2-yl)ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 64964900) is 4-[1-(5-chlorothiophen-2-yl)ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 4-[1-(5-chlorothiophen-2-yl)ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 4-[1-(5-chlorothiophen-2-yl)ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione is CC(c1ccc(Cl)s1)N1CC(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of 4-[1-(5-chlorothiophen-2-yl)ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is QYPLZQIZUMWNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2S/c1-10(11-5-6-12(16)21-11)18-9-13(19)17-15(14(18)20)7-3-2-4-8-15/h5-6,10H,2-4,7-9H2,1H3,(H,17,19).
What are the key properties of 4-[1-(5-chlorothiophen-2-yl)ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
4-[1-(5-chlorothiophen-2-yl)ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 326.85 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-chlorothiophen-2-yl)ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 64964900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).